Benzene and substituted derivatives
Filtered Search Results
Methyl 3-methyl-4-nitrobenzoate, 97%
CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 260927 |
|---|---|
| CAS | 24078-21-5 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00085640 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d |
| IUPAC Name | methyl 3-methyl-4-nitrobenzoate |
| InChI Key | IEFONJKJLZFGKQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Diethyl terephthalate, 95%
CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00039891 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonym: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester PubChem CID: 12483 IUPAC Name: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
| PubChem CID | 12483 |
|---|---|
| CAS | 636-09-9 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00039891 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)OCC |
| Synonym | diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester |
| IUPAC Name | diethyl benzene-1,4-dicarboxylate |
| InChI Key | ONIHPYYWNBVMID-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
2,3,4,5,6-Pentafluoroanisole, 98%
CAS: 389-40-2 Molecular Formula: C7H3F5O Molecular Weight (g/mol): 198.092 MDL Number: MFCD00000289 InChI Key: ZRQUIRABLIQJRI-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluoroanisole,pentafluoroanisole,benzene, pentafluoromethoxy,pentafluorophenyl methyl ether,pentafluoromethoxybenzene,methyl pentafluorophenyl ether,benzene, 1,2,3,4,5-pentafluoro-6-methoxy,anisole, 2,3,4,5,6-pentafluoro,1,2,3,4,6-pentafluoro-5-methoxybenzene,methoxypentafluorobenzene PubChem CID: 67849 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methoxybenzene SMILES: COC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 67849 |
|---|---|
| CAS | 389-40-2 |
| Molecular Weight (g/mol) | 198.092 |
| MDL Number | MFCD00000289 |
| SMILES | COC1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | 2,3,4,5,6-pentafluoroanisole,pentafluoroanisole,benzene, pentafluoromethoxy,pentafluorophenyl methyl ether,pentafluoromethoxybenzene,methyl pentafluorophenyl ether,benzene, 1,2,3,4,5-pentafluoro-6-methoxy,anisole, 2,3,4,5,6-pentafluoro,1,2,3,4,6-pentafluoro-5-methoxybenzene,methoxypentafluorobenzene |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-methoxybenzene |
| InChI Key | ZRQUIRABLIQJRI-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5O |
Benzenesulfonyl hydrazide, 98%
CAS: 80-17-1 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00007583,MFCD08064450 InChI Key: VJRITMATACIYAF-UHFFFAOYSA-N Synonym: benzenesulfonyl hydrazide,porofor,benzenesulfonic acid, hydrazide,porofor bsh,benzenesulfohydrazide,phenylsulfonylhydrazine,genitron bsh,celogen bsh,benzenesulfonylhydrazine,phenylsulfohydrazide PubChem CID: 65723 IUPAC Name: benzenesulfonohydrazide SMILES: NNS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 65723 |
|---|---|
| CAS | 80-17-1 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00007583,MFCD08064450 |
| SMILES | NNS(=O)(=O)C1=CC=CC=C1 |
| Synonym | benzenesulfonyl hydrazide,porofor,benzenesulfonic acid, hydrazide,porofor bsh,benzenesulfohydrazide,phenylsulfonylhydrazine,genitron bsh,celogen bsh,benzenesulfonylhydrazine,phenylsulfohydrazide |
| IUPAC Name | benzenesulfonohydrazide |
| InChI Key | VJRITMATACIYAF-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2S |
Ethyltriphenylphosphonium bromide, 98+%
CAS: 1530-32-1 Molecular Formula: C20H20BrP Molecular Weight (g/mol): 371.26 MDL Number: MFCD00011838 InChI Key: JHYNXXDQQHTCHJ-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705 PubChem CID: 73727 SMILES: [Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 73727 |
|---|---|
| CAS | 1530-32-1 |
| Molecular Weight (g/mol) | 371.26 |
| MDL Number | MFCD00011838 |
| SMILES | [Br-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyltriphenylphosphonium bromide,ethyl triphenyl phosphonium bromide,triphenylethylphosphonium bromide,phosphonium, ethyltriphenyl-, bromide,ethyltriphenylphosphanium bromide,ethyl triphenylphosphonium bromide,unii-r85v84ul5v,ethyltriphenylphosphoniumbromide,guaifenesin powder,pubchem18705 |
| InChI Key | JHYNXXDQQHTCHJ-UHFFFAOYSA-M |
| Molecular Formula | C20H20BrP |
4-Dimethylamino-2-methoxybenzaldehyde, 98%
CAS: 84562-48-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00151814 InChI Key: HGDRXADJVGVGBC-UHFFFAOYSA-N PubChem CID: 291350 IUPAC Name: 4-(dimethylamino)-2-methoxybenzaldehyde SMILES: CN(C)C1=CC(=C(C=C1)C=O)OC
| PubChem CID | 291350 |
|---|---|
| CAS | 84562-48-1 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00151814 |
| SMILES | CN(C)C1=CC(=C(C=C1)C=O)OC |
| IUPAC Name | 4-(dimethylamino)-2-methoxybenzaldehyde |
| InChI Key | HGDRXADJVGVGBC-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
1,3-Diisopropylbenzene, 96%
CAS: 99-62-7 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008889 InChI Key: UNEATYXSUBPPKP-UHFFFAOYSA-N Synonym: 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 PubChem CID: 7450 IUPAC Name: 1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC=C1)C(C)C
| PubChem CID | 7450 |
|---|---|
| CAS | 99-62-7 |
| Molecular Weight (g/mol) | 162.276 |
| MDL Number | MFCD00008889 |
| SMILES | CC(C)C1=CC(=CC=C1)C(C)C |
| Synonym | 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 |
| IUPAC Name | 1,3-di(propan-2-yl)benzene |
| InChI Key | UNEATYXSUBPPKP-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
5-Iodo-2-methoxybenzaldehyde, 97%
CAS: 42298-41-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 MDL Number: MFCD04128999 InChI Key: PIRKMHAREMCDPZ-UHFFFAOYSA-N Synonym: 2-methoxy-5-iodobenzaldehyde,5-iodo-2-methoxy-benzaldehyde,pubchem1445,acmc-20am2z,benzaldehyde,5-iodo-2-methoxy,5-iodo-2-methoxybenzaldehyde PubChem CID: 262240 IUPAC Name: 5-iodo-2-methoxybenzaldehyde SMILES: COC1=CC=C(I)C=C1C=O
| PubChem CID | 262240 |
|---|---|
| CAS | 42298-41-9 |
| Molecular Weight (g/mol) | 262.05 |
| MDL Number | MFCD04128999 |
| SMILES | COC1=CC=C(I)C=C1C=O |
| Synonym | 2-methoxy-5-iodobenzaldehyde,5-iodo-2-methoxy-benzaldehyde,pubchem1445,acmc-20am2z,benzaldehyde,5-iodo-2-methoxy,5-iodo-2-methoxybenzaldehyde |
| IUPAC Name | 5-iodo-2-methoxybenzaldehyde |
| InChI Key | PIRKMHAREMCDPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
Dimethyl 5-aminoisophthalate, 98%
CAS: 99-27-4 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008435 InChI Key: DEKPYXUDJRABNK-UHFFFAOYSA-N PubChem CID: 66831 IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
| PubChem CID | 66831 |
|---|---|
| CAS | 99-27-4 |
| Molecular Weight (g/mol) | 209.201 |
| MDL Number | MFCD00008435 |
| SMILES | COC(=O)C1=CC(=CC(=C1)N)C(=O)OC |
| IUPAC Name | dimethyl 5-aminobenzene-1,3-dicarboxylate |
| InChI Key | DEKPYXUDJRABNK-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO4 |
1-(p-Toluenesulfonyl)indole, 95%
CAS: 31271-90-6 Molecular Formula: C15H13NO2S Molecular Weight (g/mol): 271.33 MDL Number: MFCD01165032 InChI Key: JNRRPYFLDADLJW-UHFFFAOYSA-N Synonym: 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole PubChem CID: 10956616 SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12
| PubChem CID | 10956616 |
|---|---|
| CAS | 31271-90-6 |
| Molecular Weight (g/mol) | 271.33 |
| MDL Number | MFCD01165032 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12 |
| Synonym | 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole |
| InChI Key | JNRRPYFLDADLJW-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO2S |
Methyl vanillate, 99%
CAS: 3943-74-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00008438 InChI Key: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx PubChem CID: 19844 ChEBI: CHEBI:46477 IUPAC Name: methyl 4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)O
| PubChem CID | 19844 |
|---|---|
| CAS | 3943-74-6 |
| Molecular Weight (g/mol) | 182.175 |
| ChEBI | CHEBI:46477 |
| MDL Number | MFCD00008438 |
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)O |
| Synonym | methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx |
| IUPAC Name | methyl 4-hydroxy-3-methoxybenzoate |
| InChI Key | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
3-(Boc-amino)benzeneboronic acid pinacol ester, 97%
CAS: 330793-09-4 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.208 MDL Number: MFCD03789256 InChI Key: ANQAOGOIWVMGCH-UHFFFAOYSA-N Synonym: tert-butyl 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl-n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-n-boc-amino phenylboronic acid pinacol ester,3-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-boc-aminophenylboronic acid, pinacol ester,tert-butyl n-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-tert-butoxycarbonylamino phenylboronic acid pinacol ester,3-tert-butoxycarbonylamino phenylboronic acid, pinacol ester,3-tert-butoxycarbonyl amino benzeneboronic acid, pinacol ester PubChem CID: 2773617 IUPAC Name: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C
| PubChem CID | 2773617 |
|---|---|
| CAS | 330793-09-4 |
| Molecular Weight (g/mol) | 319.208 |
| MDL Number | MFCD03789256 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C |
| Synonym | tert-butyl 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl-n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-n-boc-amino phenylboronic acid pinacol ester,3-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-boc-aminophenylboronic acid, pinacol ester,tert-butyl n-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-tert-butoxycarbonylamino phenylboronic acid pinacol ester,3-tert-butoxycarbonylamino phenylboronic acid, pinacol ester,3-tert-butoxycarbonyl amino benzeneboronic acid, pinacol ester |
| IUPAC Name | tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI Key | ANQAOGOIWVMGCH-UHFFFAOYSA-N |
| Molecular Formula | C17H26BNO4 |
1-Bromo-4-n-propylbenzene, 99%
CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br
| PubChem CID | 136374 |
|---|---|
| CAS | 588-93-2 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00012456 |
| SMILES | CCCC1=CC=C(C=C1)Br |
| Synonym | 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 |
| IUPAC Name | 1-bromo-4-propylbenzene |
| InChI Key | NUPWGLKBGVNSJX-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
2-Amino-5-methylbenzenesulfonic acid, 99%
CAS: 88-44-8 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00007908 InChI Key: LTPSRQRIPCVMKQ-UHFFFAOYSA-N Synonym: 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino PubChem CID: 6934 IUPAC Name: 2-amino-5-methylbenzenesulfonic acid SMILES: CC1=CC=C(N)C(=C1)S(O)(=O)=O
| PubChem CID | 6934 |
|---|---|
| CAS | 88-44-8 |
| Molecular Weight (g/mol) | 187.21 |
| MDL Number | MFCD00007908 |
| SMILES | CC1=CC=C(N)C(=C1)S(O)(=O)=O |
| Synonym | 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino |
| IUPAC Name | 2-amino-5-methylbenzenesulfonic acid |
| InChI Key | LTPSRQRIPCVMKQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
5-Bromo-3-nitrosalicylaldehyde, 97%
CAS: 16634-88-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00130110 InChI Key: YEYPSUQQZNDKDE-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde PubChem CID: 618699 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
| PubChem CID | 618699 |
|---|---|
| CAS | 16634-88-1 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00130110 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br |
| Synonym | 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde |
| InChI Key | YEYPSUQQZNDKDE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |